SCHEMBL9835458

SCHEMBL9835458

COc1ccc(CCN(Oc2ccc(C3=NNC(=O)NC3C)cc2Cl)C(C)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.40
PDE4B Q07343 8/20 0.40
PDE4C Q08493 8/20 0.40
PDE4D Q08499 8/20 0.40
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
CDK8 P49336 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9836264 0.82 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9836958 0.80 PDE3B (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9835111 0.79 ALDH1A1 (0.53) MAPTALDH1A1KMT2ALMNATP53
SCHEMBL9835807 0.78 KMO (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10763649 0.77 TP53 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9836532 0.76 PDE3B (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9836476 0.72 TDP1 (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10763656 0.71 MTNR1A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9837594 0.69 PDE3B (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9837456 0.69 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP claimed